BAS 01105253
TL;DR: BAS 01105253 (CAS 309286-02-0) is a chemical compound with molecular formula C27H28F3N3OS and molecular weight 499.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1-adamantyl)ethyl]-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
Also Known As: BAS 01105253, N-[1-(1-adamantyl)ethyl]-2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide, A2131/0089504, N-[1-(1-adamantyl)ethyl]-2-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetamide, N-(adamantanylethyl)-2-[3-cyano-6-phenyl-4-(trifluoromethyl)(2-pyridylthio)]ac etamide
| Molecular Formula | C27H28F3N3OS |
|---|---|
| Molecular Weight | 499.19 g/mol |
| LogP | 6.45228 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.19052 |
| Heavy Atoms | 35 |
| Complexity | 1123.4578 |
Chemical Identifiers
| CAS Number | 309286-02-0 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C(F)(F)F)C#N |
Product Overview
BAS 01105253 (CAS 309286-02-0), with molecular formula C27H28F3N3OS and molecular weight 499.19 g/mol. IUPAC: N-[1-(1-adamantyl)ethyl]-2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01105253
Property Insights of BAS 01105253
The XLogP value of 6.45228 indicates that BAS 01105253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01105253. Following Lipinski's Rule of Five, BAS 01105253 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01105253?
The CAS number of BAS 01105253 is 309286-02-0.
What is the molecular formula of BAS 01105253?
The molecular formula of BAS 01105253 is C27H28F3N3OS.
What is the molecular weight of BAS 01105253?
The molecular weight of BAS 01105253 is 499.19 g/mol.
Where can I buy BAS 01105253?
You can request a quote for BAS 01105253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01105253?
Yes, KEHONG BIO provides custom synthesis services for BAS 01105253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.